Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8e8e46194bfd6bdcd43bc660bda3d59",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.677,
"b": 81.171,
"c": 92.962,
"alpha": 90.00,
"beta": 108.76,
"gamma": 90.00
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.34,1.87],
"number_observations": 349080,
"number_observations_unique": 51908,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 14.37
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.72
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [29.34,5.51],
"number_observations": 13578,
"number_observations_unique": 2086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 37.18
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.51
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [29.34,3.93],
"number_observations": 23917,
"number_observations_unique": 3606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 36.49
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.63
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [29.34,3.22],
"number_observations": 29817,
"number_observations_unique": 4620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 31.25
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.45
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [29.34,2.79],
"number_observations": 35858,
"number_observations_unique": 5433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 22.64
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [29.34,2.50],
"number_observations": 42233,
"number_observations_unique": 6149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 15.87
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [29.34,2.29],
"number_observations": 47869,
"number_observations_unique": 6801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 10.96
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [29.34,2.12],
"number_observations": 51439,
"number_observations_unique": 7380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.23
},
{
"type": "I/SigI",
"value": 6.89
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [29.34,1.98],
"number_observations": 52507,
"number_observations_unique": 7887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 3.90
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.66
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [29.34,1.87],
"number_observations": 51862,
"number_observations_unique": 7946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.703
},
{
"type": "I/SigI",
"value": 1.97
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 6.53
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
}
]
}